John A. Keith, Ph.D.
Department of Chemical & Petroleum Engineering
University of Pittsburgh
This talk will provide an overview of our group’s work using both standard and atypical high-performance computational chemistry modeling to elucidate atomic scale reaction mechanisms of catalytic reactions. I will introduce our toolkit of in silico methods for accurately modeling solvating environments and realistic nanoscale architectures. I will then present how these methods can be used for predictive insights into chemical and material design. The talk will then summarize our progress in unraveling reaction mechanisms for 1) electrochemical CO2 reduction with aromatic N-heterocycles and 2) CO2 reduction on partially reduced Sn oxide materials.
Dr. Keith is an R. K. Mellon Faculty Fellow in Energy, a tenure-track assistant professor, at the University of Pittsburgh (Pitt) in the Department of Chemical & Petroleum Energy and affiliated with Pitt’s Center for Energy. After obtaining his Ph.D. from Caltech, he was an Alexander von Humboldt postdoctoral fellow at the University of Ulm and then an Associate Research Scholar at Princeton University. He began his appointment at Pitt in September 2013. His group uses first-principles based computational chemistry modeling to study chemical reaction mechanisms and design materials and catalysts for energy storage and conversion. Current research activities focus on atomic scale mechanisms for CO2 conversion and tuning functional oxides via doping.
January 14 2019
January 17 2019
12:00 PM - 1:20 PM
Scott Institute for Energy Innovation
Advancing a clean environment and clean energy: Lessons from the trenches and a look ahead
5201 Scott Hall
January 23 2019
12:00 PM - 2:30 PM
Rangos Ballroom, Cohon University Center
January 25 2019
1:00 PM - 2:00 PM
Seminar with Dr. Marco Castaldi
100 Porter Hall
March 8 2019
March 11-15 2019